Secondary metabolite: Ganoderic acid GS-3 Summary Molecular formula: C32H46O8
SMILES: CC(=O)O[C@@H]1C(=O)C2=C([C@]3([C@@]1(C)[C@H](CC3=O)[C@@H](CC/C=C(/C(=O)O)C)C)C)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O InChI: InChI=1S/C32H46O8/c1-16(10-9-11-17(2)28(38)39)19-14-23(36)32(8)24-20(34)15-21-29(4,5)22(35)12-13-30(21,6)25(24)26(37)27(31(19,32)7)40-18(3)33/h11,16,19-22,27,34-35H,9-10,12-15H2,1-8H3,(H,38,39)/b17-11+/t16-,19-,20+,21+,22+,27-,30+,31+,32+/m1/s1 InChIKey: BVQKWBKBNWFWQI-JQHOPTAZSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderic acid gs-3
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 558.71 Log P RDKit 4.41 Topological polar surface area (Å2 ) RDKit 138.2 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 40 Number of heteroatoms RDKit 8 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.28 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 24 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.75 Shape complexity RDKit 0.75 Number of rotatable bonds SwissADME 7 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 4 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 4 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 4
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